SCHEMBL13898972

SCHEMBL13898972

CCCCCC[C@@H](CP)CCCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
DNM1 Q05193 2/20 0.48
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
CYP3A4 P08684 1/20 0.41
OPRM1 P35372 1/20 0.40
CA2 P00918 1/20 0.40
FDPS P14324 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28237705 0.97 LMNA (0.56) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL28661366 0.97 LMNA (0.56) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL28502652 0.97 LMNA (0.56) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL28503653 0.97 LMNA (0.56) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL28509008 0.97 LMNA (0.56) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL26414501 0.95 LMNA (0.54) LMNADNM1ALDH1A1TSHRTHRB
SCHEMBL909790 0.95 LMNA (0.52) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL10000313 0.87 LMNA (0.52) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL24981778 0.83 LMNA (0.65) LMNADNM1ALDH1A1TDP1TSHR
SCHEMBL16594216 0.83 LMNA (0.65) LMNADNM1ALDH1A1TDP1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033974-A1 METHOD FOR PRODUCING SILANE-MODIFIED COPOLYMERS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-03-19 WO disclosed